2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine

C15H11ClN2OS — CID 2824244

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine
SMILESClc1ccccc1CSc1nccc(-c2ccco2)n1
InChIInChI=1S/C15H11ClN2OS/c16-12-5-2-1-4-11(12)10-20-15-17-8-7-13(18-15)14-6-3-9-19-14/h1-9H,10H2
InChIKeyUEHQGHYIUFIGGZ-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.68
Rot. Bonds4

About 2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine

2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine (PubChem CID 2824244) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine
PubChem CID2824244
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine
SMILESClc1ccccc1CSc1nccc(-c2ccco2)n1
InChIInChI=1S/C15H11ClN2OS/c16-12-5-2-1-4-11(12)10-20-15-17-8-7-13(18-15)14-6-3-9-19-14/h1-9H,10H2
InChIKeyUEHQGHYIUFIGGZ-UHFFFAOYSA-N
XLogP4.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine (CID 2824244) is 2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine is Clc1ccccc1CSc1nccc(-c2ccco2)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine?
The InChIKey is UEHQGHYIUFIGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-5-2-1-4-11(12)10-20-15-17-8-7-13(18-15)14-6-3-9-19-14/h1-9H,10H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine?
2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine has a molecular weight of 302.79 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine is sourced from PubChem (CID 2824244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).